| SpectraBase Compound ID | IIAq9has0H8 |
|---|---|
| InChI | InChI=1S/C27H41NO9/c1-7-28(31)12-23(3)9-8-17(33-5)26-20(23)21(37-14(2)29)27(22(26)28)25(35-13-36-27)11-16(32-4)15-10-24(26,30)19(25)18(15)34-6/h15-22,30H,7-13H2,1-6H3/t15?,16-,17-,18-,19?,20-,21-,22-,23-,24-,25+,26+,27-,28+/m0/s1 |
| InChIKey | YWSXJRORNOTIDP-WQSLITPOSA-N |
| Mol Weight | 523.6 g/mol |
| Molecular Formula | C27H41NO9 |
| Exact Mass | 523.278132 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Kd04KHB7J8Y |
|---|---|
| Name | Deltaline - N-oxide |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H41NO9 |
| InChI | InChI=1S/C27H41NO9/c1-7-28(31)12-23(3)9-8-17(33-5)26-20(23)21(37-14(2)29)27(22(26)28)25(35-13-36-27)11-16(32-4)15-10-24(26,30)19(25)18(15)34-6/h15-22,30H,7-13H2,1-6H3/t15?,16-,17-,18-,19?,20-,21-,22-,23-,24-,25+,26+,27-,28+/m0/s1 |
| InChIKey | YWSXJRORNOTIDP-WQSLITPOSA-N |
| Molecular Weight | 523.623 g/mol |
| SMILES | O[C@]12C3[C@@]4([C@]5([C@@]6([C@]22[C@](CC[C@@]([C@@]2([C@@]5(OC(=O)C)[H])[H])(C)C[N@+]6([O-])CC)(OC)[H])[H])OCO4)C[C@@](C([C@@]3(OC)[H])C1)(OC)[H] |
| SPLASH | splash10-0006-9000400000-98c671e604d1cb9fe980 |
| Source of Spectrum | G4-58-933-5 |
| Wiley ID | 1605938 |